MolNFT v1 · #181653 · protein

Sn-407-LRRC8A in MSP1E3D1 lipid nanodiscs (pose-1)

7M17 · Volume-regulated anion channel subunit LRRC8A: “Sn-407-LRRC8A in MSP1E3D1 lipid nanodiscs (pose-1)”. Electron microscopy, 2 ligands (PEE, YNJ), 20 pockets (best druggability 0.84). MolNFT v1 #181653 on GenesisL1: 3D structure…

PDB: 7M17
Type: protein
Length: 1,878 residues
Chains: 6
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Volume-regulated anion channel subunit LRRC8A
UniProt: Q80WG5
Ligands: PEE, YNJ
Pockets: 20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 66% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Volume-regulated anion channel subunit LRRC8A	protein	313	66% helix, 4% strand	Q80WG5

Ligands and binding sites

PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · 18 copies · chains A, B, C, D, E, F
YNJ · 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid · ligand · chains A, B, C, D, E, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1171	0.84	0.85	120	empty
2	287	0.72	0.86	31	empty
3	298	0.71	0.84	32	empty
4	544	0.68	0.78	61	empty
5	542	0.68	0.77	45	PEE

Interfaces

6 interfaces between chains.

E–F · 1796 Å² buried · 14 hydrogen bonds · protein-protein
A–F · 1755 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1746 Å² buried · 14 hydrogen bonds · protein-protein
B–C · 1718 Å² buried · 12 hydrogen bonds · protein-protein
D–E · 1671 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 disulfide (disulfide).

Compared structures

7M17 · SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) · the same entry in another collection · chain C against C, TM-score 1.00
Q80WG5 · AlphaFold monomer V2.0 prediction for volume-regulated anion channel subunit LRRC8A… · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q80WG5
Elsewhere: RCSB PDB 7M17 · PDBe 7M17 · UniProt Q80WG5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.